SCHEMBL4635040

SCHEMBL4635040

O=C(O)CCc1ccc(NC2=NC(=O)C(=Cc3ccc4ccccc4c3)S2)cc1

nearest known ligand 0.49

Predicted protein targets (top 14)

geneUniProtsupporting neighboursconfidence
FFAR1 O14842 3/20 0.49
ALOX5 P09917 6/20 0.48
PTPN1 P18031 2/20 0.43
ACP1 P24666 2/20 0.43
CYP1A2 P05177 2/20 0.40
MEN1 O00255 1/20 0.40
PIM1 P11309 1/20 0.40
RAB9A P51151 1/20 0.40
KMT2A Q03164 1/20 0.40
AKR1B1 P15121 1/20 0.39
FFAR4 Q5NUL3 1/20 0.39
HDAC4 P56524 1/20 0.38
HDAC8 Q9BY41 1/20 0.38
HPGD P15428 1/20 0.37

Click a target to see other patent compounds predicted against it — the reverse direction, in place.

Similar compounds — the chemically nearest patent molecules

Nearest neighbours by Morgan-fingerprint cosine across the patent-compound collection, with each neighbour's top predicted target and the predicted targets it shares with this molecule.

Compoundsimilaritytop predictedshared targets
SCHEMBL4635037 1.00 FFAR1 (0.49) FFAR1ALOX5PTPN1ACP1CYP1A2
SCHEMBL4140267 0.90 ALOX5 (0.47) ALOX5PTPN1ACP1MEN1PIM1
SCHEMBL4140263 0.90 ALOX5 (0.47) ALOX5PTPN1ACP1MEN1PIM1
SCHEMBL4133440 0.89 ALOX5 (0.54) FFAR1ALOX5CYP1A2MEN1RAB9A
SCHEMBL4133434 0.89 ALOX5 (0.54) FFAR1ALOX5CYP1A2MEN1RAB9A
SCHEMBL4128880 0.83 HDAC4 (0.44) ALOX5CYP1A2MEN1RAB9AKMT2A
SCHEMBL4128877 0.83 HDAC4 (0.44) ALOX5CYP1A2MEN1RAB9AKMT2A
Propionic Acid SCHEMBL4295430 0.83 ALOX5 (0.45) ALOX5PTPN1ACP1MEN1PIM1
SCHEMBL4127367 0.82 ALOX5 (0.51) ALOX5PTPN1ACP1MEN1PIM1
SCHEMBL4127370 0.82 ALOX5 (0.51) ALOX5PTPN1ACP1MEN1PIM1

Similarity is cosine over the 2,048-bit Morgan fingerprint (≈ Tanimoto). Identical fingerprints score 1.00.

Patent provenance — the patents this molecule appears in, and who filed them

Claimed or disclosed in 6 patents. claimed = in the patent's claims; disclosed = body only.

PatentTitleAssigneePublishedPriorityFilingCountryStatus
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN claimed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP claimed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO claimed
CN-101268060-A Thiazolinone and oxazolinone compounds and application thereof as PTP1B inhibitor TORRENT PHARMACEUTICALS LTD (IN) 2008-09-17 CN disclosed
EP-1934192-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS Torrent Pharmaceuticals Ltd (IN) 2008-06-25 EP disclosed
WO-2007032028-A1 THIAZOLINONES AND OXAZOLINONES AND THEIR USE AS PTP1B INHIBITORS TORRENT PHARMACEUTICALS LTD. (IN) 2007-03-22 WO disclosed